[1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane

C44H30O2P4 — CID 88908059

IUPAC[1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane
SMILESO=Pc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc(P=O)c3ccccc23)c2ccccc12
InChIInChI=1S/C44H30O2P4/c45-47-39-29-41(49(31-17-5-1-6-18-31)32-19-7-2-8-20-32)43(37-27-15-13-25-35(37)39)44-38-28-16-14-26-36(38)40(48-46)30-42(44)50(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-30H
InChIKeyMMNQDZHIXPNPKN-UHFFFAOYSA-N
MW714.62 g/mol
LogP9.01
Rot. Bonds9

About [1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane

[1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane (PubChem CID 88908059) has the molecular formula C44H30O2P4 and a molecular weight of 714.62 g/mol. Its IUPAC name is [1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane
PubChem CID88908059
Molecular FormulaC44H30O2P4
Molecular Weight714.62 g/mol
Exact Mass714.12
IUPAC Name[1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane
SMILESO=Pc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc(P=O)c3ccccc23)c2ccccc12
InChIInChI=1S/C44H30O2P4/c45-47-39-29-41(49(31-17-5-1-6-18-31)32-19-7-2-8-20-32)43(37-27-15-13-25-35(37)39)44-38-28-16-14-26-36(38)40(48-46)30-42(44)50(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-30H
InChIKeyMMNQDZHIXPNPKN-UHFFFAOYSA-N
XLogP9.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.62
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane
CID 11423163
[3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane
CID 11607115
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane
CID 102595249
diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane
CID 166447914
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
[5-[5-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-1-yl]methylazanium
CID 102212130
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 52912463
methane;palladium;triphenylphosphane
CID 90407786
[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane
CID 10282339

Frequently Asked Questions

What is the IUPAC name of [1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane (CID 88908059) is [1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane is O=Pc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc(P=O)c3ccccc23)c2ccccc12.
What is the InChIKey of [1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane?
The InChIKey is MMNQDZHIXPNPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O2P4/c45-47-39-29-41(49(31-17-5-1-6-18-31)32-19-7-2-8-20-32)43(37-27-15-13-25-35(37)39)44-38-28-16-14-26-36(38)40(48-46)30-42(44)50(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-30H.
What are the key properties of [1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane?
[1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane has a molecular weight of 714.62 g/mol, XLogP of 9.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 88908059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).